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Details

Stereochemistry RACEMIC
Molecular Formula C18H15ClN2O7S2
Molecular Weight 470.904
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-KETO-2-HYDROXYSITAXENTAN

SMILES

CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(O)C(=O)C3=CC4=C(OCO4)C=C3C)=C1Cl

InChI

InChIKey=XFKXQDPHUBJNBO-UHFFFAOYSA-N
InChI=1S/C18H15ClN2O7S2/c1-8-5-11-12(27-7-26-11)6-10(8)15(22)16(23)17-13(3-4-29-17)30(24,25)21-18-14(19)9(2)20-28-18/h3-6,16,21,23H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H15ClN2O7S2
Molecular Weight 470.904
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:26:18 UTC 2023
Edited
by admin
on Sat Dec 16 14:26:18 UTC 2023
Record UNII
E3J5CXS29H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-KETO-2-HYDROXYSITAXENTAN
Common Name English
N-(4-CHLORO-3-METHYL-ISOXAZOL-5-YL)-2-(1-HYDROXY-2-(6-METHYL-1,3-BENZODIOXOL-5-YL)-2-OXO-ETHYL)THIOPHENE-3-SULFONAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
E3J5CXS29H
Created by admin on Sat Dec 16 14:26:18 UTC 2023 , Edited by admin on Sat Dec 16 14:26:18 UTC 2023
PRIMARY
PUBCHEM
165411957
Created by admin on Sat Dec 16 14:26:18 UTC 2023 , Edited by admin on Sat Dec 16 14:26:18 UTC 2023
PRIMARY
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